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CHEBI:145009 - steviolbioside(1−)

ChEBI IDCHEBI:145009
ChEBI Namesteviolbioside(1−)
Stars
ASCII Namesteviolbioside(1-)
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of steviolbioside. The major species at pH 7.3.
Last Modified10 June 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H49O13
Net Charge-1
Average Mass641.731
Monoisotopic Mass641.31787
SMILES[H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)[O-])C4
InChIInChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/p-1/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
InChIKeyOMHUCGDTACNQEX-OSHKXICASA-M
ChEBI Ontology
Outgoing Relation(s)
steviolbioside(1−) (CHEBI:145009) is a monocarboxylic acid anion (CHEBI:35757)
steviolbioside(1−) (CHEBI:145009) is conjugate base of steviolbioside (CHEBI:145030)
Incoming Relation(s)
steviolbioside (CHEBI:145030) is conjugate acid of steviolbioside(1−) (CHEBI:145009)
Synonym  Source
steviolbioside anionChEBI
UniProt Name  Source
steviolbiosideUniProt
Manual XrefsDatabases
CPD-14503MetaCyc
Citations